Dichloromethane → tert-butyl N-[4-[[1-cyano-2-[4-(4-cyano-3-methylphenyl)phenyl]ethyl]carbamoyl]oxan-4-yl]carbamate

반응식

[Cl:38][CH2:39][Cl:40].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]([CH3:19])[c:14]([C:17]#[N:18])[cH:15][cH:16]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[C:23]1([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:37]>>[N:1]#[C:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]([CH3:19])[c:14]([C:17]#[N:18])[cH:15][cH:16]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[C:23]1([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1

참가 물질

반응물 2

HCID 6344Dichloromethane

HCID 68429468tert-butyl N-[4-[[1-amino-3-[4-(4-cyano-3-methylphenyl)phenyl]-1-oxopropan-2-yl]carbamoyl]oxan-4-yl]carbamate

생성물 1

HCID 72328361tert-butyl N-[4-[[1-cyano-2-[4-(4-cyano-3-methylphenyl)phenyl]ethyl]carbamoyl]oxan-4-yl]carbamate

출처 및 근거

ORD 기록: ord-a5ea534c2c87409e963e647efd7902aa
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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